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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03320442

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W190.86
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W290.86
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B2HEI0.86
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMM0.86
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMO0.86
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
1HKX0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FX20.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2OLW0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YRP0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
2A270.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2V6V0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PX60.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N0H0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2BVJ0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1RAM0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N1C0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1W270.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYG0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHG0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2E8E0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2I9F0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2EAK0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1B2L0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1VD50.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMH0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3G360.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANED1V8Q0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2O300.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2V8V0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2G8X0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B3HP80.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BME0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
1XXX0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1DQ80.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1F0C0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1H0P0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IAH0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2J980.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1EAC0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1X0J0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2HP00.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F3BBF0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1R430.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KV50.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMQ0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEB,C1X790.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1SV20.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2PNU0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2A2A0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1MW00.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FVG0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1ZLQ0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FA20.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1O9J0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F2PAN0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2QSI0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AMB0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3GVT0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KZI0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1TIQ0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMO0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YQD0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AM90.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMF0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2CZD0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMD0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PLR0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3FVE0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHH0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMM0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PIJ0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IA90.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F1F7T0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYI0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KAE0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N2F0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FW10.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1RE50.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2CKO0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1A780.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1DK80.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,D,E,F,G,
H,I
2BGC0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B5TIM0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2VNF0.78
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1I3S0.78
DTDDITHIANE DIOLA,B,C,D,E2C970.86
DTDDITHIANE DIOLA2IZX0.86
DTDDITHIANE DIOLA2VJ00.86
DTDDITHIANE DIOLA3GVO0.86
DTDDITHIANE DIOLB,I2C2Z0.86
DTDDITHIANE DIOLA,B,C,D2PVA0.86
DTDDITHIANE DIOLA,B,C1QTN0.86
DTDDITHIANE DIOLA1W800.86
DTDDITHIANE DIOLA,B1E420.86
DTO1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-
2,3-DIOL
A,B1QMH0.78
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.78
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YVJ0.78
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D2RAM0.78
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3F460.78
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1NYT0.78
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYG0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1O9J0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3H9M0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1KZI0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YWM0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1TV80.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E,F,
G,H
1W4R0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E2C920.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYI0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3C610.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A2VK30.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2VNF0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,D,E,F,G,
H,I
2BGC0.78
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2H000.78
DT3(2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-
1-SULFONATE
A1YLH0.89
SGMMONOTHIOGLYCEROLA,B,C,D1OGU0.72
SGMMONOTHIOGLYCEROLA,B,C,D3DDQ0.72
SGMMONOTHIOGLYCEROLA,B,C,D3DOG0.72
SGMMONOTHIOGLYCEROLA1QFM0.72
SGMMONOTHIOGLYCEROLA,B,C,D1OIY0.72
SGMMONOTHIOGLYCEROLA,B,C,D3BHT0.72
SGMMONOTHIOGLYCEROLA,B,C,D1OIU0.72
SGMMONOTHIOGLYCEROLA,B,C,D2IW80.72
SGMMONOTHIOGLYCEROLA,B,C,D2IW60.72
SGMMONOTHIOGLYCEROLA,B,C,D3BHV0.72
SGMMONOTHIOGLYCEROLA,B,C,D1OI90.72
SGMMONOTHIOGLYCEROLA,B,C,D2IW90.72
SGL1-HYDROXY-1-THIO-GLYCEROLA1QFM0.75